uspto-grants-1984_04 · 10.6084/m9.figshare.5104873.v1 · US04440766
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HCID178482020
3-(1-methyl-1H-tetrazol-5-yl)thiomethyl7-[2-(2-tetrahydropyranyl)oxy-2-(2-mesylamino-1,3-thiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid
(6R)-7-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-2-(oxan-2-yloxy)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C21H26N8O8S4646.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(OC3CCCCO3)c3csc(=NS(C)(=O)=O)[nH]3)[C@H]2SC1
- InChIKey
- IMOXSPLBLRJGCJ-QTMLTGIDSA-N
- 分子式
- C21H26N8O8S4
- 平均分子量
- 646.7 g/mol
- 单同位素质量
- 646.07564451
COMPUTED
结构计算性质
- XLogP
- -0.3
- 极性表面积
- 295 Ų
- 氢键供体
- 3
- 氢键受体
- 16
- 可旋转键
- 11
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 1,170
ALIASES
名称与别名
IMOXSPLBLRJGCJ-QTMLTGIDSA-N3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-7-[2-(2-tetrahydropyranyl)oxy-2-(2-mesylamino-1,3-thiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid3-(1-methyl-1H-tetrazol-5-yl)thiomethyl-7-[2-(2-tetrahydropyranyl)oxy-2-(2-mesylimino-2,3-dihydro-1,3-thiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid3-(1-methyl-1H-tetrazol-5-yl)thiomethyl7-[2-(2-tetrahydropyranyl)oxy-2-(2-mesylamino-1,3-thiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid3-(1-methyl1H-tetrazol-5-yl)thiomethyl-7-[2-(2-tetrahydropyranyl)oxy-2-(2-mesylamino-1,3-thiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid
REACTIONS
参与反应
uspto-grants-1981_12 · 10.6084/m9.figshare.5104873.v1 · US04303655
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